N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C14H15N3O3S2 — CID 6503342

IUPACN-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C14H15N3O3S2/c18-14(16-11-4-3-5-15-9-11)13-8-12(10-21-13)22(19,20)17-6-1-2-7-17/h3-5,8-10H,1-2,6-7H2,(H,16,18)
InChIKeyVZFYUUZAUDKGLU-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.18
Rot. Bonds4

About N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503342) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6503342
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC NameN-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C14H15N3O3S2/c18-14(16-11-4-3-5-15-9-11)13-8-12(10-21-13)22(19,20)17-6-1-2-7-17/h3-5,8-10H,1-2,6-7H2,(H,16,18)
InChIKeyVZFYUUZAUDKGLU-UHFFFAOYSA-N
XLogP2.18
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 171989504
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503287
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
CID 26591861
4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 6503439
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503288
(3-benzamidophenyl) 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 1322539
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 6503342) is N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)cs1.
What is the InChIKey of N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is VZFYUUZAUDKGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c18-14(16-11-4-3-5-15-9-11)13-8-12(10-21-13)22(19,20)17-6-1-2-7-17/h3-5,8-10H,1-2,6-7H2,(H,16,18).
What are the key properties of N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).